General Information of the Compound
| Compound ID |
CP0429124
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| Compound Name |
3-[2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]methyl]-4-oxoquinazolin-3-yl]-4-propan-2-yloxybenzaldehyde
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| Structure |
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| Formula |
C31H31ClN4O5
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| Molecular Weight |
575.065
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| Canonical SMILES |
CC(C)Oc1ccc(C=O)cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O
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| InChI |
InChI=1S/C31H31ClN4O5/c1-21(2)41-28-12-7-22(19-37)17-27(28)36-29(33-26-6-4-3-5-25(26)31(36)39)18-34-13-15-35(16-14-34)30(38)20-40-24-10-8-23(32)9-11-24/h3-12,17,19,21H,13-16,18,20H2,1-2H3
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| InChIKey |
NMXCZPFSJOMPKM-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound